
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       2.15     2.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       1_B - 105_B       1.90     2.18
  LCS_AVERAGE:     70.36

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      31_B - 101_B       0.99     2.25
  LONGEST_CONTINUOUS_SEGMENT:    71      32_B - 102_B       0.96     2.27
  LCS_AVERAGE:     38.10

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     Q     1_B     Q     1_B     28  105  128     55   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  105  128     52   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  105  128     27   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  105  128     35   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  105  128     47   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  105  128     41   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  105  128     51   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  105  128     38   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  105  128     39   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  105  128     10   69  100  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  105  128      5   61   98  109  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  105  128      3   10   26   78  108  114  118  118  121  122  123  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      4  105  128      3    3    5    7   13   17   46   74  119  122  123  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  105  128      3   12   36   77  108  114  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     71  105  128      3    3    3    6  111  114  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     71  105  128     10   82  105  109  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     71  105  128     51   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     71  105  128     52   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     71  105  128     39   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     71  105  128     13   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     71  105  128     17   89  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     71  105  128     41   90  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     71  105  128     27   92  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     71  105  128     41   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     71  105  128     31   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     71  105  128     52   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     71  105  128      3    3    3   10   22  114  116  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     71  105  128     37   95  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     71  105  128     24   93  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     71  105  128     20   87  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     71  105  128     17   68  104  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     71  105  128     47   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     71  105  128     52   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     71  105  128     53   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     71  105  128     42   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     71  105  128     35   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     71  105  128     35   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     71  105  128     44   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     71  105  128     42   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     71  105  128     52   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     71  105  128     45   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     71  105  128     45   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     71  105  128     40   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     71  105  128     45   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     71  105  128     33   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     71  105  128     44   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     71  105  128     53   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     71  105  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     71  105  128     51   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     71  105  128      3   37   68  107  112  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     71  105  128     31   90  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     71  105  128      3    8   27   94  111  114  116  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      6  105  128      3    6   13   23   37   53  111  117  119  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      6  105  128      3    6    9   11   20   34   49   79   97  121  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  105  128      3    4    4    8   14   21   30   52   73   97  120  123  126  127  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      7   18  128      3    5   10   20   35   49   82  109  119  121  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      7   22  128      6    6    9   18   32   47   88  114  119  121  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      7   22  128      6    6    8   17   36   78  111  117  119  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B      7   22  128      6    6   23   49   87  112  116  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     12   22  128      6   28   80  109  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     12   22  128      6   15   66  108  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     16   22  128      6   51   99  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     16   22  128     39   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     16   22  128      4   76  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     16   22  128     46   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     16   22  128     48   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     16   22  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     16   22  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     16   22  128     46   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     16   22  128      4   23   92  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     16   22  128     55   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     16   22  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     16   22  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     16   22  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     16   22  128     57   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     16   22  128     53   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     16   22  128     32   97  105  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     16   22  128      3    6   75  110  114  115  118  120  121  122  125  125  127  127  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  69.49  (  38.10   70.36  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     57     97    105    110    114    115    118    120    121    122    125    125    127    127    128    128    128    128    128    128 
GDT PERCENT_AT  44.53  75.78  82.03  85.94  89.06  89.84  92.19  93.75  94.53  95.31  97.66  97.66  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.57   0.66   0.80   0.92   0.95   1.13   1.25   1.31   1.41   1.90   1.90   2.00   2.00   2.15   2.15   2.15   2.15   2.15   2.15
GDT RMS_ALL_AT   2.35   2.30   2.28   2.28   2.26   2.27   2.28   2.23   2.24   2.24   2.16   2.16   2.16   2.16   2.15   2.15   2.15   2.15   2.15   2.15

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.652     0    0.489   0.922     9.872   84.048   46.561
LGA    V     2_B      V     2_B     0.544     0    0.065   0.125     0.844   90.476   91.837
LGA    Q     3_B      Q     3_B     0.587     0    0.015   0.820     2.241   90.476   86.720
LGA    L     4_B      L     4_B     0.595     0    0.028   0.049     0.730   92.857   92.857
LGA    V     5_B      V     5_B     0.583     0    0.091   0.129     0.852   90.476   90.476
LGA    E     6_B      E     6_B     0.377     0    0.037   0.944     3.752  100.000   88.571
LGA    S     7_B      S     7_B     0.253     0    0.029   0.045     0.280  100.000  100.000
LGA    G     8_B      G     8_B     0.250     0    0.062   0.062     0.369  100.000  100.000
LGA    G     9_B      G     9_B     0.401     0    0.164   0.164     0.724   97.619   97.619
LGA    G    10_B      G    10_B     0.938     0    0.021   0.021     1.037   92.976   92.976
LGA    S    11_B      S    11_B     0.365     0    0.126   0.142     1.314   92.976   90.635
LGA    V    12_B      V    12_B     0.484     0    0.071   0.155     0.577   95.238   97.279
LGA    Q    13_B      Q    13_B     0.804     0    0.023   0.750     3.370   92.857   80.159
LGA    A    14_B      A    14_B     0.626     0    0.048   0.062     0.910   95.238   94.286
LGA    G    15_B      G    15_B     0.553     0    0.088   0.088     0.958   92.857   92.857
LGA    G    16_B      G    16_B     0.762     0    0.058   0.058     0.762   92.857   92.857
LGA    S    17_B      S    17_B     0.657     0    0.061   0.702     1.574   90.476   87.540
LGA    L    18_B      L    18_B     0.530     0    0.060   1.105     3.561   90.476   83.452
LGA    R    19_B      R    19_B     0.552     0    0.058   1.214     3.684   95.238   82.381
LGA    L    20_B      L    20_B     0.320     0    0.014   0.214     0.846   97.619   96.429
LGA    S    21_B      S    21_B     0.648     0    0.028   0.711     2.369   92.857   87.778
LGA    C    22_B      C    22_B     0.880     0    0.031   0.051     1.135   85.952   85.952
LGA    A    23_B      A    23_B     1.125     0    0.113   0.139     1.208   81.429   81.429
LGA    A    24_B      A    24_B     0.585     0    0.040   0.045     0.763   90.476   90.476
LGA    S    25_B      S    25_B     1.124     0    0.011   0.594     3.059   81.548   76.270
LGA    G    26_B      G    26_B     2.207     0    0.028   0.028     2.971   64.881   64.881
LGA    Y    27_B      Y    27_B     2.667     0    0.595   0.752     4.841   50.833   59.563
LGA    T    28_B      T    28_B     4.490     0    0.464   1.080     8.499   32.262   25.306
LGA    Y    29_B      Y    29_B     5.755     0    0.591   1.301    12.896   27.619   10.040
LGA    S    30_B      S    30_B     3.817     0    0.637   0.822     4.986   38.810   45.238
LGA    M    31_B      M    31_B     3.761     0    0.650   0.999    11.458   52.143   29.702
LGA    Y    32_B      Y    32_B     1.918     0    0.577   1.396    12.369   71.071   31.270
LGA    C    33_B      C    33_B     0.453     0    0.027   0.192     1.881   95.238   90.714
LGA    M    34_B      M    34_B     0.489     0    0.054   1.029     4.090   92.976   81.845
LGA    G    35_B      G    35_B     0.445     0    0.019   0.019     0.742   92.857   92.857
LGA    W    36_B      W    36_B     0.689     0    0.041   0.160     0.902   90.476   90.476
LGA    F    37_B      F    37_B     0.539     0    0.030   0.308     0.978   90.476   93.074
LGA    R    38_B      R    38_B     0.562     0    0.017   0.109     1.663   95.238   87.359
LGA    Q    39_B      Q    39_B     0.632     0    0.060   0.220     1.457   90.476   89.471
LGA    A    40_B      A    40_B     0.984     0    0.070   0.093     0.984   90.476   90.476
LGA    P    41_B      P    41_B     1.163     0    0.018   0.063     1.463   85.952   84.014
LGA    G    42_B      G    42_B     1.346     0    0.219   0.219     1.422   81.429   81.429
LGA    K    43_B      K    43_B     1.189     0    0.060   0.981     3.432   81.429   77.937
LGA    E    44_B      E    44_B     0.957     0    0.017   0.733     4.569   88.214   68.466
LGA    R    45_B      R    45_B     0.196     0    0.029   0.683     1.538   97.619   90.693
LGA    E    46_B      E    46_B     0.696     0    0.060   0.767     3.718   90.476   75.873
LGA    G    47_B      G    47_B     1.040     0    0.073   0.073     1.281   83.690   83.690
LGA    V    48_B      V    48_B     0.343     0    0.034   0.052     0.592   97.619   98.639
LGA    A    49_B      A    49_B     0.614     0    0.011   0.012     0.773   95.238   94.286
LGA    G    50_B      G    50_B     0.366     0    0.019   0.019     0.525   97.619   97.619
LGA    I    51_B      I    51_B     0.421     0    0.055   0.081     0.705   97.619   96.429
LGA    C    52_B      C    52_B     0.255     0    0.021   0.792     5.189   80.714   70.317
LGA    A    53_B      A    53_B     3.896     0    0.464   0.435     5.700   43.214   39.810
LGA    N    54_B      N    54_B     1.033     0    0.173   1.060     3.727   81.429   71.548
LGA    G    55_B      G    55_B     1.120     0    0.053   0.053     1.275   83.690   83.690
LGA    K    56_B      K    56_B     1.345     0    0.063   0.849     4.847   77.143   69.630
LGA    A    57_B      A    57_B     1.633     0    0.200   0.241     1.813   77.143   76.286
LGA    I    58_B      I    58_B     0.510     0    0.034   0.078     0.973   92.857   94.048
LGA    H    59_B      H    59_B     0.413     0    0.030   1.051     2.292  100.000   86.476
LGA    Y    60_B      Y    60_B     0.455     0    0.024   0.151     0.618   95.238   98.413
LGA    V    61_B      V    61_B     0.706     0    0.047   0.898     2.851   90.476   82.041
LGA    D    62_B      D    62_B     0.840     0    0.014   0.103     1.088   90.476   89.345
LGA    S    63_B      S    63_B     1.072     0    0.026   0.051     1.242   81.429   81.429
LGA    V    64_B      V    64_B     0.812     0    0.021   0.174     1.074   90.476   89.184
LGA    K    65_B      K    65_B     0.519     0    0.028   0.161     0.827   90.476   94.709
LGA    G    66_B      G    66_B     0.980     0    0.032   0.032     1.260   85.952   85.952
LGA    R    67_B      R    67_B     0.792     0    0.026   1.401     5.218   90.476   72.078
LGA    F    68_B      F    68_B     0.618     0    0.036   0.096     1.213   92.857   88.874
LGA    T    69_B      T    69_B     0.412     0    0.043   0.110     0.532   95.238   97.279
LGA    I    70_B      I    70_B     0.341     0    0.015   0.108     0.592  100.000   97.619
LGA    S    71_B      S    71_B     0.191     0    0.042   0.066     0.242  100.000  100.000
LGA    Q    72_B      Q    72_B     0.150     0    0.068   0.412     1.504  100.000   90.794
LGA    D    73_B      D    73_B     0.372     0    0.106   0.180     1.135   95.238   90.595
LGA    N    74_B      N    74_B     0.751     0    0.015   1.046     2.877   90.476   85.179
LGA    A    75_B      A    75_B     0.749     0    0.089   0.095     0.792   90.476   90.476
LGA    K    76_B      K    76_B     0.743     0    0.200   0.814     1.591   88.214   85.503
LGA    N    77_B      N    77_B     0.697     0    0.027   0.253     2.305   92.857   82.917
LGA    T    78_B      T    78_B     0.434     0    0.095   0.092     0.609  100.000   97.279
LGA    V    79_B      V    79_B     0.427     0    0.008   0.038     0.491  100.000  100.000
LGA    Y    80_B      Y    80_B     0.401     0    0.042   0.123     0.655  100.000   95.238
LGA    L    81_B      L    81_B     0.596     0    0.076   0.104     0.664   90.476   90.476
LGA    Q    82_B      Q    82_B     0.995     0    0.082   0.798     1.845   90.476   86.508
LGA    M    83_B      M    83_B     0.846     0    0.110   0.177     1.431   90.476   85.952
LGA    N    84_B      N    84_B     0.640     0    0.038   0.141     1.454   90.476   88.214
LGA    S    85_B      S    85_B     0.433     0    0.000   0.027     0.587  100.000   96.825
LGA    L    86_B      L    86_B     0.344     0    0.085   0.119     0.507   97.619   98.810
LGA    K    87_B      K    87_B     0.334     0    0.021   0.938     4.901  100.000   83.704
LGA    P    88_B      P    88_B     0.344     0    0.058   0.049     0.625   97.619   98.639
LGA    E    89_B      E    89_B     0.461     0    0.097   0.946     3.204  100.000   84.392
LGA    D    90_B      D    90_B     0.390     0    0.088   0.101     0.743   97.619   97.619
LGA    T    91_B      T    91_B     0.431     0    0.409   1.018     2.657   86.905   81.361
LGA    A    92_B      A    92_B     0.367     0    0.037   0.046     0.690  100.000   98.095
LGA    M    93_B      M    93_B     0.435     0    0.109   1.266     5.851   97.619   79.940
LGA    Y    94_B      Y    94_B     0.332     0    0.059   0.154     0.535   97.619   98.413
LGA    Y    95_B      Y    95_B     0.222     0    0.017   0.089     0.491  100.000  100.000
LGA    C    96_B      C    96_B     0.481     0    0.085   0.661     2.269  100.000   92.540
LGA    A    97_B      A    97_B     0.353     0    0.025   0.035     0.650   97.619   96.190
LGA    A    98_B      A    98_B     0.557     0    0.083   0.100     0.758   92.857   92.381
LGA    D    99_B      D    99_B     1.143     0    0.144   0.824     2.225   81.548   78.452
LGA    S   100_B      S   100_B     2.754     0    0.078   0.079     3.675   60.952   56.190
LGA    R   101_B      R   101_B     1.445     0    0.266   1.167     5.501   72.976   64.589
LGA    G   102_B      G   102_B     4.250     0    0.495   0.495     4.760   37.500   37.500
LGA    G   103_B      G   103_B     6.271     0    0.262   0.262     8.354   13.333   13.333
LGA    I   104_B      I   104_B     8.195     0    0.152   0.644    10.092    6.667    3.929
LGA    W   105_B      W   105_B    10.025     0    0.182   1.025    16.201    0.476    0.136
LGA    Y   106_B      Y   106_B     8.877     0    0.151   1.091     9.512    1.905    5.159
LGA    E   107_B      E   107_B     7.975     0    0.567   0.506    10.262    4.881    3.016
LGA    Q   108_B      Q   108_B     6.591     0    0.623   0.713    12.374   22.500   10.582
LGA    Q   109_B      Q   109_B     4.540     0    0.378   1.509     6.349   41.905   39.153
LGA    L   110_B      L   110_B     2.350     0    0.225   1.342     3.634   61.071   65.536
LGA    S   111_B      S   111_B     2.851     0    0.209   0.496     3.380   62.976   62.460
LGA    T   112_B      T   112_B     1.986     0    0.011   0.990     4.236   75.119   68.027
LGA    L   113_B      L   113_B     1.054     0    0.150   0.181     2.441   83.690   77.321
LGA    R   114_B      R   114_B     1.540     0    0.131   1.396     7.305   79.405   51.342
LGA    Y   115_B      Y   115_B     0.869     0    0.056   0.259     1.330   90.476   86.706
LGA    N   116_B      N   116_B     0.680     0    0.069   0.208     0.731   90.476   91.667
LGA    Y   117_B      Y   117_B     0.462     0    0.074   0.312     3.268  100.000   79.524
LGA    W   118_B      W   118_B     0.311     0    0.058   0.102     0.784   97.619   93.878
LGA    G   119_B      G   119_B     0.629     0    0.044   0.044     1.100   90.595   90.595
LGA    Q   120_B      Q   120_B     2.082     0    0.598   0.740     4.898   58.452   48.254
LGA    G   121_B      G   121_B     0.440     0    0.031   0.031     0.440  100.000  100.000
LGA    T   122_B      T   122_B     0.219     0    0.087   1.066     2.896   97.619   88.503
LGA    Q   123_B      Q   123_B     0.220     0    0.033   0.859     2.402   97.619   87.989
LGA    V   124_B      V   124_B     0.466     0    0.046   0.073     0.798  100.000   95.918
LGA    T   125_B      T   125_B     0.524     0    0.013   0.407     1.146   90.476   89.184
LGA    V   126_B      V   126_B     0.629     0    0.063   0.056     1.043   88.214   91.905
LGA    S   127_B      S   127_B     0.916     0    0.125   0.642     2.330   85.952   83.175
LGA    S   128_B      S   128_B     2.844     0    0.573   0.524     3.641   62.857   57.460

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     2.154          2.179                  3.092           83.289   78.883

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    120    1.25    88.867    85.544     8.860

LGA_LOCAL      RMSD:   1.254  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.227  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   2.154  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.615664 * X  +   0.287873 * Y  +   0.733544 * Z  +  28.306679
  Y_new =   0.785005 * X  +  -0.305261 * Y  +  -0.539058 * Z  +   1.145950
  Z_new =   0.068742 * X  +   0.907714 * Y  +  -0.413920 * Z  +   8.965869 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.905714 -0.068797  1.998631   [DEG:   51.8936   -3.9418  114.5131 ]
ZXZ:  0.937050  1.997553  0.075587   [DEG:   53.6890  114.4513    4.3308 ]
 
# END of job
